3-[2-(4-methoxyphenyl)ethylamino]-6-methyl-4H-1,2,4-triazin-5-one

C13H16N4O2 — CID 135476904

IUPAC3-[2-(4-methoxyphenyl)ethylamino]-6-methyl-4H-1,2,4-triazin-5-one
SMILESCOc1ccc(CCNc2nnc(C)c(=O)[nH]2)cc1
InChIInChI=1S/C13H16N4O2/c1-9-12(18)15-13(17-16-9)14-8-7-10-3-5-11(19-2)6-4-10/h3-6H,7-8H2,1-2H3,(H2,14,15,17,18)
InChIKeyWFLMQXKPPWJSTI-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.14
Rot. Bonds5

About 3-[2-(4-methoxyphenyl)ethylamino]-6-methyl-4H-1,2,4-triazin-5-one

3-[2-(4-methoxyphenyl)ethylamino]-6-methyl-4H-1,2,4-triazin-5-one (PubChem CID 135476904) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenyl)ethylamino]-6-methyl-4H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name3-[2-(4-methoxyphenyl)ethylamino]-6-methyl-4H-1,2,4-triazin-5-one
PubChem CID135476904
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name3-[2-(4-methoxyphenyl)ethylamino]-6-methyl-4H-1,2,4-triazin-5-one
SMILESCOc1ccc(CCNc2nnc(C)c(=O)[nH]2)cc1
InChIInChI=1S/C13H16N4O2/c1-9-12(18)15-13(17-16-9)14-8-7-10-3-5-11(19-2)6-4-10/h3-6H,7-8H2,1-2H3,(H2,14,15,17,18)
InChIKeyWFLMQXKPPWJSTI-UHFFFAOYSA-N
XLogP1.14
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(4-methoxyphenyl)ethylamino]-6-phenyl-4H-1,2,4-triazin-5-one
CID 135612014
3-[2-(4-chlorophenyl)ethylamino]-6-[(4-methoxyphenyl)methyl]-4H-1,2,4-triazin-5-one
CID 136683773
3-[2-(cyclohexen-1-yl)ethylamino]-6-[(4-methoxyphenyl)methyl]-4H-1,2,4-triazin-5-one
CID 136780178
3-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135399287
6-[(4-fluorophenyl)methyl]-3-[2-(4-methoxyphenoxy)ethylamino]-4H-1,2,4-triazin-5-one
CID 136780260
3-(butylamino)-6-(4-methoxyphenyl)-4H-1,2,4-triazin-5-one
CID 136779808
2-[2-(3,4-dimethoxyphenyl)ethylamino]-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 135612119
3-[3-(diethylamino)propylamino]-6-[(4-methoxyphenyl)methyl]-4H-1,2,4-triazin-5-one
CID 136779931
2-[2-(4-methoxyphenyl)ethylamino]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135406996
6-(4-methoxyphenyl)-3-(3-methylbutylamino)-4H-1,2,4-triazin-5-one
CID 136780374
2-tert-butyl-N-[2-(4-methoxyphenyl)ethyl]-4-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 137016729
3-[2-(3,4-dimethoxyphenyl)ethylamino]-6-phenyl-4H-1,2,4-triazin-5-one
CID 135511625

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenyl)ethylamino]-6-methyl-4H-1,2,4-triazin-5-one?
The IUPAC name of 3-[2-(4-methoxyphenyl)ethylamino]-6-methyl-4H-1,2,4-triazin-5-one (CID 135476904) is 3-[2-(4-methoxyphenyl)ethylamino]-6-methyl-4H-1,2,4-triazin-5-one.
What is the SMILES notation for 3-[2-(4-methoxyphenyl)ethylamino]-6-methyl-4H-1,2,4-triazin-5-one?
The canonical SMILES for 3-[2-(4-methoxyphenyl)ethylamino]-6-methyl-4H-1,2,4-triazin-5-one is COc1ccc(CCNc2nnc(C)c(=O)[nH]2)cc1.
What is the InChIKey of 3-[2-(4-methoxyphenyl)ethylamino]-6-methyl-4H-1,2,4-triazin-5-one?
The InChIKey is WFLMQXKPPWJSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-9-12(18)15-13(17-16-9)14-8-7-10-3-5-11(19-2)6-4-10/h3-6H,7-8H2,1-2H3,(H2,14,15,17,18).
What are the key properties of 3-[2-(4-methoxyphenyl)ethylamino]-6-methyl-4H-1,2,4-triazin-5-one?
3-[2-(4-methoxyphenyl)ethylamino]-6-methyl-4H-1,2,4-triazin-5-one has a molecular weight of 260.30 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyphenyl)ethylamino]-6-methyl-4H-1,2,4-triazin-5-one is sourced from PubChem (CID 135476904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).